Hi !
I am a newby on gromacs. Ive run dynamics of an ATP binding domain without
ligand, but now, as the crystal structure with the bound ADP is published, I
would like to see its dynamics. However as I started, I realized that
topologies of ADP and ATP are not present in OPLS .itp file. Did anyone create
a topology file that works for this molecule ?
Thanks in advance.
Ernesto.
"Nada más preciado que la continuidad
El amor si no es eterno no vale.
(...)Aceptar el reto, seguir la señal
Enfrentarse a los posibles abismos
Abrir todas las puertas, desmontar la razón
Apagar los juicios sobre uno mismo"
Pedro Aznar
Ernesto Andrés Roman
IQUIFIB-Fisicoquímica Biológica
Facultad de Farmacia y Bioquímica
Universidad de Buenos Aires
Junin 956 (1113)
Buenos Aires, Argentina
Tel: (+54 11) 49648289 (int. 124)
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